Zhang, C.; Feng, L.; Wei, J. Predicting partitioning of volatile organic compounds from air into plant cuticular matrix by quantum chemical descriptors. Chin. Sci. Bull. 2002, 47, 1270.
Compound
| ID: | 15 | |
|---|---|---|
| Name: | 3-methyl-3-pentanol | |
| Description: | ||
| Labels: | ||
| CAS: | 77-74-7 | |
| InChi Code: | InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3 |
Properties
logKMXa: Cuticular polymer matrix/air partition coefficient as logKMXa
| Value | Source or prediction |
|---|---|
| 3.69 |
experimental value |
| 3.816 |
Eq.5: Model for volatile organic compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0021755 | US EPA CompTox Dashboard |